| SpectraBase Compound ID | 1hukSu07vsJ |
|---|---|
| InChI | InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;; |
| InChIKey | JPKKQJKQTPNWTR-CHYDPLAESA-N |
| Mol Weight | 694.837 g/mol |
| Molecular Formula | C34H50N2O11S |
| Exact Mass | 694.313532 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eiBWBsk4kb |
|---|---|
| Name | 1alphaH, 5alphaH-tropan-3 alpha-ol, (+/-)-tropate (ester), sulfate(2.1)(salt), hydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50N2O11S |
| InChI | InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;; |
| InChIKey | JPKKQJKQTPNWTR-CHYDPLAESA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55971M |
| Solvent | D2O |